Adenosine, N-(2-(1H-indol-3-yl)ethyl)-
TL;DR: Adenosine, N-(2-(1H-indol-3-yl)ethyl)- (CAS 19231-23-3) is a chemical compound with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol
Also Known As: A2AR-agonist-1, A2AR agonist-1, A2AR-agonist-1?, N-(2-(1H-Indol-3-yl)ethyl)adenosine, N6-(3-Indolylethyl)adenosine
| Molecular Formula | C20H22N6O4 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.17026 |
| Heavy Atoms | 30 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 19231-23-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O |
| InChIKey | QGCNEMXXKWZPHR-WVSUBDOOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenosine, N-(2-(1H-indol-3-yl)ethyl)- (CAS 19231-23-3), with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of Adenosine, N-(2-(1H-indol-3-yl)ethyl)-
Property Insights of Adenosine, N-(2-(1H-indol-3-yl)ethyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine, N-(2-(1H-indol-3-yl)ethyl)-. The TPSA of 141.0 Ų indicates high polarity, suggesting Adenosine, N-(2-(1H-indol-3-yl)ethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, N-(2-(1H-indol-3-yl)ethyl)- has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine, N-(2-(1H-indol-3-yl)ethyl)-?
The CAS number of Adenosine, N-(2-(1H-indol-3-yl)ethyl)- is 19231-23-3.
What is the molecular formula of Adenosine, N-(2-(1H-indol-3-yl)ethyl)-?
The molecular formula of Adenosine, N-(2-(1H-indol-3-yl)ethyl)- is C20H22N6O4.
What is the molecular weight of Adenosine, N-(2-(1H-indol-3-yl)ethyl)-?
The molecular weight of Adenosine, N-(2-(1H-indol-3-yl)ethyl)- is 410.17 g/mol.
Where can I buy Adenosine, N-(2-(1H-indol-3-yl)ethyl)-?
You can request a quote for Adenosine, N-(2-(1H-indol-3-yl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, N-(2-(1H-indol-3-yl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, N-(2-(1H-indol-3-yl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.